3448-3339 Screening compound: methyl (2Z)-2-acetamido-3-(1H-indol-3-yl)prop-2-enoate

3448-3339 Screening compound: methyl (2Z)-2-acetamido-3-(1H-indol-3-yl)prop-2-enoate
3448-3339 Screening compound: methyl (2Z)-2-acetamido-3-(1H-indol-3-yl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-3339
methyl (2Z)-2-acetamido-3-(1H-indol-3-yl)prop-2-enoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3448-3339

Molecular Formula

C14H14N2O3 (C14 H14 N2 O3)

Compound Name

methyl (2Z)-2-acetamido-3-(1H-indol-3-yl)prop-2-enoate

IUPAC name

methyl (2Z)-2-acetamido-3-(1H-indol-3-yl)prop-2-enoate

SMILES

CC(N/C(/C(OC)=O)=C\c1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C14H14N2O3/c1-9(17)16-13(14(18)19-2)7-10-8-15-12-6-4-3-5-11(10)12/h3-8,15H,1-2H3,(H,16,17)

InChI Key

YJKNOKDIPSUPEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00437010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.945

Distribution Coefficient, logD

1.917

Water Solubility, LogSw

-2.44

Polar Surface Area

53.378

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3448-3339 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3448-3339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-3339?
Check Price and Availability of 3448-3339, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3448-3339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-3339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-3339
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3448-3339 available by request